[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate

C20H41O4P — CID 25245114

IUPAC[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
SMILESC/C(=C\COP(=O)(O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
InChIKeyYRXRHZOKDFCXIB-PYDDKJGSSA-N
MW376.52 g/mol
LogP6.48
Rot. Bonds15

About [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate

[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate (PubChem CID 25245114) has the molecular formula C20H41O4P and a molecular weight of 376.52 g/mol. Its IUPAC name is [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
PubChem CID25245114
Molecular FormulaC20H41O4P
Molecular Weight376.52 g/mol
Exact Mass376.27
IUPAC Name[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
SMILESC/C(=C\COP(=O)(O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1
InChIKeyYRXRHZOKDFCXIB-PYDDKJGSSA-N
XLogP6.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate?
The IUPAC name of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate (CID 25245114) is [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate?
The canonical SMILES for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate is C/C(=C\COP(=O)(O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate?
The InChIKey is YRXRHZOKDFCXIB-PYDDKJGSSA-N. The full InChI is InChI=1S/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1.
What are the key properties of [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate?
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate has a molecular weight of 376.52 g/mol, XLogP of 6.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate is sourced from PubChem (CID 25245114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).